BDBM32835 (4-methylphenyl)-(2-methylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methanone::(4-methylphenyl)-[2-(methylthio)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]methanone::MLS000544330::SMR000160479::[2-(methylthio)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]-(p-tolyl)methanone::cid_5219869::methyl 1-(4-methylbenzoyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl sulfide

SMILES: CSc1nc2cc3OCCOc3cc2n1C(=O)c1ccc(C)cc1

InChI Key: InChIKey=IGUWUTUJRGNIDR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 32835   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM32835 ((4-methylphenyl)-(2-methylsulfanyl-6,7-dihydro-[1,...) Show SMILES CSc1nc2cc3OCCOc3cc2n1C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C18H16N2O3S/c1-11-3-5-12(6-4-11)17(21)20-14-10-16-15(22-7-8-23-16)9-13(14)19-18(20)24-2/h3-6,9-10H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2H993J6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM32835 ((4-methylphenyl)-(2-methylsulfanyl-6,7-dihydro-[1,...) Show SMILES CSc1nc2cc3OCCOc3cc2n1C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C18H16N2O3S/c1-11-3-5-12(6-4-11)17(21)20-14-10-16-15(22-7-8-23-16)9-13(14)19-18(20)24-2/h3-6,9-10H,7-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	556	n/a	n/a	n/a	n/a	7.5	23
PCMD Curated by PubChem BioAssay					Assay Description HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K64GDN
					More data for this Ligand-Target Pair